rel-(5R,7S)-3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
rel-(5R,7S)-3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
rel-(5R,7S)-3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-1378 |
| Compound Name: | rel-(5R,7S)-3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | [H][C@]12CC3(CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)Nc1ccc(cc1)C(C)C)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4023 |
| logD: | 3.1166 |
| logSw: | -5.8772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | XCFKVOLUJUCZML-FNZWZJOASA-N |